UCSF

ZINC39134954

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.31 1.65 -5.9 2 3 0 52 179.219 4
Mid Mid (pH 6-8) 0.31 2.04 -39.21 3 3 1 54 180.227 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )